methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

C15H20N2O3 — CID 114610715

IUPACmethyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-8-4-10-17(13)14(18)12-7-3-9-16(12)11-5-2-6-11/h3,7,9,11,13H,2,4-6,8,10H2,1H3
InChIKeyJEBMXIGRSNATFR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds3

About methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate

methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 114610715) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID114610715
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cccn1C1CCC1
InChIInChI=1S/C15H20N2O3/c1-20-15(19)13-8-4-10-17(13)14(18)12-7-3-9-16(12)11-5-2-6-11/h3,7,9,11,13H,2,4-6,8,10H2,1H3
InChIKeyJEBMXIGRSNATFR-UHFFFAOYSA-N
XLogP1.99
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2S)-1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 101252038
methyl 1-(1-methylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 43409912
1-(1-cyclopropylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 43639281
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410
methyl (2R)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxylate
CID 833629
1-(1-cyclobutylpyrrole-2-carbonyl)piperazine-2-carboxylic acid
CID 114610402
[2-(aminomethyl)piperidin-1-yl]-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610133
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2R)-1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535937
methyl 1-(2,6-dichlorobenzoyl)piperidine-2-carboxylate
CID 115535683
methyl (2R)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxylate
CID 79834097
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate (CID 114610715) is methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cccn1C1CCC1.
What is the InChIKey of methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is JEBMXIGRSNATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-20-15(19)13-8-4-10-17(13)14(18)12-7-3-9-16(12)11-5-2-6-11/h3,7,9,11,13H,2,4-6,8,10H2,1H3.
What are the key properties of methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate?
methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-cyclobutylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 114610715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).